2-[2,4-bis(chloranyl)-5-methyl-phenyl]sulfanylethanoate

Systemtic Name: 2-[2,4-bis(chloranyl)-5-methyl-phenyl]sulfanylethanoate Openeye Name: 2-(2,4-dichloro-5-methyl-phenyl)sulfanylacetate CAS Name: 2-[(2,4-dichloro-5-methylphenyl)thio]acetate IUPAC Name: 2-(2,4-dichloro-5-methylphenyl)sulfanylacetate Traditional Name: 2-[(2,4-dichloro-5-methyl-phenyl)thio]acetate Formula: C9H7Cl2O2S- MolecularWeight: 250.12168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)Cl)SCC(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1Cl)Cl)SCC(=O)[O-]

InChI

InChI=1S/C9H8Cl2O2S/c1-5-2-8(14-4-9(12)13)7(11)3-6(5)10/h2-3H,4H2,1H3,(H,12,13)/p-1